3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-olate

Systemtic Name: 3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-olate Openeye Name: 3-phenyl-2-thioxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-olate CAS Name: 3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-olate IUPAC Name: 3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-olate Traditional Name: 3-phenyl-2-thioxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-olate Formula: C16H13N2OS2- MolecularWeight: 313.41722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N(C(=S)N=C3S2)C4=CC=CC=C4)[O-]

Isomeric SMILES

C1CCC2=C(C1)C3=C(N(C(=S)N=C3S2)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C16H14N2OS2/c19-15-13-11-8-4-5-9-12(11)21-14(13)17-16(20)18(15)10-6-2-1-3-7-10/h1-3,6-7,19H,4-5,8-9H2/p-1